Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00660510
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.74 | |
CRI | A,B | 1VKG | 0.75 | ||
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.8 | |
SX4 | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin- 1-yl]carbonyl}aniline | A,B | 3CJ3 | 0.74 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.71 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.76 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.71 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.72 | |
ISN | ISATIN | A,B | 1OJA | 0.73 | |
ISN | ISATIN | A,B | 2BK5 | 0.73 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.74 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.74 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.74 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.74 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.74 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.71 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.73 | |
SX6 | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)-4-morpholin- 4-yl-4-oxobutanamide | A,B | 3CJ5 | 0.76 | |
NNB | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | A | 2VG6 | 0.76 | |
FRQ | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.72 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.75 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.72 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.75 | |
SX5 | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.75 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.75 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.75 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.75 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.71 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.74 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.71 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.72 | |
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.73 | |
575 | (4Z)-6-bromo-4-({[4-(pyrrolidin- 1-ylmethyl)phenyl]amino}methylidene)isoquinoline- 1,3(2H,4H)-dione | A,B,C,D | 2ZM3 | 0.78 | |
446 | 4-[(4-{[6-bromo-3-(methoxycarbonyl)- 1-oxo-4-phenylisoquinolin-2(1H)- yl]methyl}phenyl)amino]-4-oxobutanoic acid | A | 2ZDU | 0.74 | |
H18 | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.71 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.71 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.7 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.72 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.75 | |
TC8 | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.71 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.72 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | |
BRY | A | 2BHE | 0.82 | ||
MAQ | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.71 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.74 | |
C16 | 4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile | A | 3BNZ | 0.7 | |
AAA | (2-ACETYL-5-METHYLANILINO)(2,6- DIBROMOPHENYL)ACETAMIDE | A | 1HNI | 0.78 | |
BRW | 6-BROMOINDIRUBIN-3'-OXIME | A | 1UV5 | 0.8 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.75 | |
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.73 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.71 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.71 | |
H16 | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.72 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.73 | |
BBM | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)- 3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE | A | 1S9J | 0.74 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.7 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.7 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.7 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.7 |